methyl (2S)-2-[but-2-ynyl(phenylmethoxycarbonyl)amino]-2,6-dimethyl-hepta-3,4-dienoate

Systemtic Name: methyl (2S)-2-[but-2-ynyl(phenylmethoxycarbonyl)amino]-2,6-dimethyl-hepta-3,4-dienoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(but-2-ynyl)amino]-2,6-dimethyl-hepta-3,4-dienoate CAS Name: (2S)-2-[but-2-ynyl(phenylmethoxycarbonyl)amino]-2,6-dimethylhepta-3,4-dienoic acid methyl ester IUPAC Name: methyl (2S)-2-[but-2-ynyl(phenylmethoxycarbonyl)amino]-2,6-dimethylhepta-3,4-dienoate Traditional Name: (2S)-2-[but-2-ynyl(carbobenzoxy)amino]-2,6-dimethyl-hepta-3,4-dienoic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(C(=O)OCC1=CC=CC=C1)C(C)(C=C=CC(C)C)C(=O)OC

Isomeric SMILES

CC#CCN(C(=O)OCC1=CC=CC=C1)[C@@](C)(C=C=CC(C)C)C(=O)OC

InChI

InChI=1S/C22H27NO4/c1-6-7-16-23(21(25)27-17-19-13-9-8-10-14-19)22(4,20(24)26-5)15-11-12-18(2)3/h8-10,12-15,18H,16-17H2,1-5H3/t11?,22-/m0/s1